(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde

C20H24O3Si — CID 10969879

IUPAC(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde
SMILESCC(C)(C)[Si](OC[C@@H]1O[C@H]1C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O3Si/c1-20(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)22-15-19-18(14-21)23-19/h4-14,18-19H,15H2,1-3H3/t18-,19-/m0/s1
InChIKeyDPYJVPLZFFROJT-OALUTQOASA-N
MW340.50 g/mol
LogP2.53
Rot. Bonds6

About (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde

(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde (PubChem CID 10969879) has the molecular formula C20H24O3Si and a molecular weight of 340.50 g/mol. Its IUPAC name is (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde
PubChem CID10969879
Molecular FormulaC20H24O3Si
Molecular Weight340.50 g/mol
Exact Mass340.15
IUPAC Name(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde
SMILESCC(C)(C)[Si](OC[C@@H]1O[C@H]1C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O3Si/c1-20(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)22-15-19-18(14-21)23-19/h4-14,18-19H,15H2,1-3H3/t18-,19-/m0/s1
InChIKeyDPYJVPLZFFROJT-OALUTQOASA-N
XLogP2.53
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-((tert-butyldiphenylsilyl)oxy)dihydrofuran-2(3H)-one
CID 357852
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
(3S)-3-(tert-Butyldiphenylsilyloxy)-butan-1-al
CID 11461566
tert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 14197271
(S)-4-((tert-Butyldiphenylsilyl)oxy)dihydrofuran-3(2H)-one
CID 156730559
Ethyl(tert-butyldiphenylsilanyloxy)acetaldehyde
CID 86617033
(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 10069473
3-[[Tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde
CID 11056950
(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde
CID 11336758
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal
CID 11374252
(3S)-3-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 11428197
(2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde
CID 12000291

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde?
The IUPAC name of (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde (CID 10969879) is (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde.
What is the SMILES notation for (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde?
The canonical SMILES for (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde is CC(C)(C)[Si](OC[C@@H]1O[C@H]1C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde?
The InChIKey is DPYJVPLZFFROJT-OALUTQOASA-N. The full InChI is InChI=1S/C20H24O3Si/c1-20(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)22-15-19-18(14-21)23-19/h4-14,18-19H,15H2,1-3H3/t18-,19-/m0/s1.
What are the key properties of (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde?
(2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde has a molecular weight of 340.50 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde is sourced from PubChem (CID 10969879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).